5-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-methyl-isoxazole Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O3S/c1-13-11-14(16-21-13)12-17-7-9-18(10-8-17)22(19,20)15-5-3-2-4-6-15/h2-6,11H,7-10,12H2,1H3/p+1